2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid

C9H15N3O2 — CID 19620649

IUPAC2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
SMILESCCn1nc(CC(N)C(=O)O)cc1C
InChIInChI=1S/C9H15N3O2/c1-3-12-6(2)4-7(11-12)5-8(10)9(13)14/h4,8H,3,5,10H2,1-2H3,(H,13,14)
InChIKeyKIULTINUZVYWPX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.17
Rot. Bonds4

About 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid

2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid (PubChem CID 19620649) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
PubChem CID19620649
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
SMILESCCn1nc(CC(N)C(=O)O)cc1C
InChIInChI=1S/C9H15N3O2/c1-3-12-6(2)4-7(11-12)5-8(10)9(13)14/h4,8H,3,5,10H2,1-2H3,(H,13,14)
InChIKeyKIULTINUZVYWPX-UHFFFAOYSA-N
XLogP0.17
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid (CID 19620649) is 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid is CCn1nc(CC(N)C(=O)O)cc1C.
What is the InChIKey of 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid?
The InChIKey is KIULTINUZVYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12-6(2)4-7(11-12)5-8(10)9(13)14/h4,8H,3,5,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid?
2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 19620649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).